(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol

C10H12N2OS — CID 63975680

IUPAC(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol
SMILESCCn1nccc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS/c1-2-12-9(3-5-11-12)10(13)8-4-6-14-7-8/h3-7,10,13H,2H2,1H3
InChIKeyDXZPICGLZXFURF-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.05
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol

(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol (PubChem CID 63975680) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol
PubChem CID63975680
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol
SMILESCCn1nccc1C(O)c1ccsc1
InChIInChI=1S/C10H12N2OS/c1-2-12-9(3-5-11-12)10(13)8-4-6-14-7-8/h3-7,10,13H,2H2,1H3
InChIKeyDXZPICGLZXFURF-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol (CID 63975680) is (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol is CCn1nccc1C(O)c1ccsc1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol?
The InChIKey is DXZPICGLZXFURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-2-12-9(3-5-11-12)10(13)8-4-6-14-7-8/h3-7,10,13H,2H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol?
(2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol has a molecular weight of 208.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 63975680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).